1-(ethylamino)propan-2-ol

• ChemBase ID: 71579
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: N(CC(O)C)CC
• Canonical SMILES: CCNCC(O)C
• InChI: InChI=1S/C5H13NO/c1-3-6-4-5(2)7/h5-7H,3-4H2,1-2H3
• InChIKey: UCYJVNBJCIZMTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(ethylamino)propan-2-ol
• IUPAC Traditional name: 1-(ethylamino)propan-2-ol
• Synonyms: 1-(Ethylamino)propan-2-ol

Database IDs

• MDL Number: MFCD00082193
• PubChem SID: 162037078
• PubChem CID: 3016164

CALCULATED PROPERTIES

• Acid pKa: 15.2966795
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3287067
• LogD (pH = 7.4): -2.6279392
• Log P: -0.109597504
• Molar Refractivity: 30.1531 cm^3
• Polarizability: 12.084012 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.153

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: 95%